2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol

C17H11N3O2 — CID 135429379

IUPAC2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESOc1ccccc1-c1nc(-c2nccc3ccccc23)no1
InChIInChI=1S/C17H11N3O2/c21-14-8-4-3-7-13(14)17-19-16(20-22-17)15-12-6-2-1-5-11(12)9-10-18-15/h1-10,21H
InChIKeyDGYPXJJJSOSOQA-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.66
Rot. Bonds2

About 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol

2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 135429379) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol
PubChem CID135429379
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Name2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESOc1ccccc1-c1nc(-c2nccc3ccccc23)no1
InChIInChI=1S/C17H11N3O2/c21-14-8-4-3-7-13(14)17-19-16(20-22-17)15-12-6-2-1-5-11(12)9-10-18-15/h1-10,21H
InChIKeyDGYPXJJJSOSOQA-UHFFFAOYSA-N
XLogP3.66
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Naphthalen-1-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 757874
2-[5-(2-Methoxyphenyl)-1,2,4-oxadiazol-3-YL]pyridine
CID 912656
7-(5-Phenyl-1,2,4-oxadiazol-3-yl)-1,6-naphthyridin-8-ol
CID 135869504
2-{5-[2-(2-Phenylethyl)phenyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 1254062
4-{5-[3-(2-Phenylethyl)-1,2,4-oxadiazol-5-YL]pyridin-2-YL}phenol
CID 136100588
1-[5-(2,5-Dimethoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-isoquinoline
CID 11232865
2-[5-(2-Methoxy-naphthalen-1-yl)-[1,2,4]oxadiazol-3-yl]-pyridine
CID 15956942
3-Methyl-2-(5-naphthalen-1-yl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 15956972
5-(2-Methoxy-1-naphthyl)-3-(3-methyl-2-pyridyl)-1,2,4-oxadiazole
CID 15956977
1-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-isoquinoline
CID 15956988
1-(5-Naphthalen-1-yl-[1,2,4]oxadiazol-3-yl)-isoquinoline
CID 15956990
1-[5-(2-Methoxy-naphthalen-1-yl)-[1,2,4]oxadiazol-3-yl]-isoquinoline
CID 15956993

Frequently Asked Questions

What is the IUPAC name of 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol (CID 135429379) is 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol is Oc1ccccc1-c1nc(-c2nccc3ccccc23)no1.
What is the InChIKey of 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is DGYPXJJJSOSOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2/c21-14-8-4-3-7-13(14)17-19-16(20-22-17)15-12-6-2-1-5-11(12)9-10-18-15/h1-10,21H.
What are the key properties of 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol?
2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol has a molecular weight of 289.29 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 135429379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).